Geometry & MOs

Info

ID:	328688
PubChem CID:	126726570
Reduced:	SN3O4C26H37 (1)
Stoich.:	AB3C4D26E37 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-126.17
Dipole, Da:	2.09
IP(EA), eV:	-8.2(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[[(5-hydroxy-6-methyl-1H-benzimidazol-2-yl)amino]methyl]-3-oxo-1,2-dihydroinden-2-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(CS(=O)N(C)C)N2CC3=C(C2=O)C(=CC=C3)NCC(C)(C)C)OC

DOS

IR

Vibrations